| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 28 | Yes |
Popular Name: (3S,5S)-3,5-dimethyl-1-[[4-[4-(1-piperidylmethyl)phenyl]phenyl]methyl]piperidine (3S,5S)-3,5-dimethyl-1-[[4-[4-(1…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 5.87 | 16.62 | -76.05 | 2 | 2 | 2 | 9 | 378.604 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-10-E | Acetylcholinesterase (cluster #10 Of 12), Eukaryotic | Eukaryotes | 2399 | 0.28 | Binding ≤ 10μM |
| HRH3-3-E | Histamine H3 Receptor (cluster #3 Of 3), Eukaryotic | Eukaryotes | 1 | 0.45 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 0.87096359 | 0.45 | Binding ≤ 1μM |
| HRH3_RAT | Q9QYN8 | Histamine H3 Receptor, Rat | 2.39883292 | 0.43 | Binding ≤ 1μM |
| ACES_RAT | P37136 | Acetylcholinesterase, Rat | 2398.83292 | 0.28 | Binding ≤ 10μM |
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 0.87096359 | 0.45 | Binding ≤ 10μM |
| HRH3_RAT | Q9QYN8 | Histamine H3 Receptor, Rat | 2.39883292 | 0.43 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Histamine receptors |
